1-[5-amino-3-(2-methoxyphenyl)pyrazol-1-yl]propan-2-ol

C13H17N3O2 — CID 112751510

IUPAC1-[5-amino-3-(2-methoxyphenyl)pyrazol-1-yl]propan-2-ol
SMILESCOc1ccccc1-c1cc(N)n(CC(C)O)n1
InChIInChI=1S/C13H17N3O2/c1-9(17)8-16-13(14)7-11(15-16)10-5-3-4-6-12(10)18-2/h3-7,9,17H,8,14H2,1-2H3
InChIKeyIRNQBSUKRWEMQW-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.52
Rot. Bonds4

About 1-[5-amino-3-(2-methoxyphenyl)pyrazol-1-yl]propan-2-ol

1-[5-amino-3-(2-methoxyphenyl)pyrazol-1-yl]propan-2-ol (PubChem CID 112751510) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-[5-amino-3-(2-methoxyphenyl)pyrazol-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-[5-amino-3-(2-methoxyphenyl)pyrazol-1-yl]propan-2-ol
PubChem CID112751510
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name1-[5-amino-3-(2-methoxyphenyl)pyrazol-1-yl]propan-2-ol
SMILESCOc1ccccc1-c1cc(N)n(CC(C)O)n1
InChIInChI=1S/C13H17N3O2/c1-9(17)8-16-13(14)7-11(15-16)10-5-3-4-6-12(10)18-2/h3-7,9,17H,8,14H2,1-2H3
InChIKeyIRNQBSUKRWEMQW-UHFFFAOYSA-N
XLogP1.52
TPSA73.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-3-(2-methoxyphenyl)pyrazol-5-amine
CID 61265898
3-(2-methylphenyl)-1-(2-methylpropyl)pyrazol-5-amine
CID 43381407
3-(2-methoxyphenyl)-1-phenylpyrazol-5-amine
CID 16770102
2-[5-amino-3-(2-ethoxyphenyl)pyrazol-1-yl]ethanol
CID 43348917
6-(2-methoxyphenyl)-2-(2-methylpropyl)-3-oxopyridazine-4-carbaldehyde
CID 82447378
2-[4-methoxy-3-[5-(2-methoxyphenyl)-1-(2-methylpropyl)pyrazol-3-yl]phenyl]acetic acid
CID 110160779
4-acetyl-6-(2-methoxyphenyl)-2-propylpyridazin-3-one
CID 82446787
2-[5-amino-3-(3-methoxy-4-pyridinyl)pyrazol-1-yl]ethanol
CID 105063635
3,5-bis(2-methoxyphenyl)-1-methylpyrazole
CID 19586953
N,1-diethyl-3-(2-methoxyphenyl)-N-methylpyrazole-5-carboxamide
CID 42879366
ethyl (2S)-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]propanoate
CID 7662608
3,5-bis(2-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrazole
CID 19587078

Frequently Asked Questions

What is the IUPAC name of 1-[5-amino-3-(2-methoxyphenyl)pyrazol-1-yl]propan-2-ol?
The IUPAC name of 1-[5-amino-3-(2-methoxyphenyl)pyrazol-1-yl]propan-2-ol (CID 112751510) is 1-[5-amino-3-(2-methoxyphenyl)pyrazol-1-yl]propan-2-ol.
What is the SMILES notation for 1-[5-amino-3-(2-methoxyphenyl)pyrazol-1-yl]propan-2-ol?
The canonical SMILES for 1-[5-amino-3-(2-methoxyphenyl)pyrazol-1-yl]propan-2-ol is COc1ccccc1-c1cc(N)n(CC(C)O)n1.
What is the InChIKey of 1-[5-amino-3-(2-methoxyphenyl)pyrazol-1-yl]propan-2-ol?
The InChIKey is IRNQBSUKRWEMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-9(17)8-16-13(14)7-11(15-16)10-5-3-4-6-12(10)18-2/h3-7,9,17H,8,14H2,1-2H3.
What are the key properties of 1-[5-amino-3-(2-methoxyphenyl)pyrazol-1-yl]propan-2-ol?
1-[5-amino-3-(2-methoxyphenyl)pyrazol-1-yl]propan-2-ol has a molecular weight of 247.30 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-amino-3-(2-methoxyphenyl)pyrazol-1-yl]propan-2-ol is sourced from PubChem (CID 112751510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).